SCHEMBL183160

SCHEMBL183160

COc1cc(Nc2ccc(F)cc2)cnc1-c1ccc(C2CCC(CC(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.53
SOAT1 P35610 3/20 0.48
FAAH O00519 1/20 0.46
CHRM2 P08172 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14617027 0.93 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180991 0.93 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL13664072 0.93 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180965 0.91 DGAT1 (0.56) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180681 0.91 DGAT1 (0.48) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL181139 0.86 DGAT1 (0.49) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180414 0.86 DGAT1 (0.51) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL15445165 0.80 DHODH (0.46) DGAT1SOAT1CCNT1CDK9
SCHEMBL180697 0.78 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL14617029 0.78 DGAT1 (0.66) DGAT1SOAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed